Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)C1=CC=C(CO)O1
InChIKey
InChIKey=GDRILHSBVRGOEA-UHFFFAOYSA-N
Formula
C20H17BrN2O4S
Mass
461.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
3-halobenzoic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Aromatic alcohols Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organosulfur compound - Primary alcohol - Aromatic alcohol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available